2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide

C23H26N4O2S — CID 91638880

IUPAC2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
SMILESCOc1ccc2c(ccn2CC(=O)N[C@@H](CCSC)c2nc3ccccc3n2C)c1
InChIInChI=1S/C23H26N4O2S/c1-26-21-7-5-4-6-18(21)25-23(26)19(11-13-30-3)24-22(28)15-27-12-10-16-14-17(29-2)8-9-20(16)27/h4-10,12,14,19H,11,13,15H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyZICKULWFQPONSA-IBGZPJMESA-N
MW422.55 g/mol
LogP4.15
Rot. Bonds8

About 2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide

2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide (PubChem CID 91638880) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide.

Molecular Properties

Compound Name2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
PubChem CID91638880
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
SMILESCOc1ccc2c(ccn2CC(=O)N[C@@H](CCSC)c2nc3ccccc3n2C)c1
InChIInChI=1S/C23H26N4O2S/c1-26-21-7-5-4-6-18(21)25-23(26)19(11-13-30-3)24-22(28)15-27-12-10-16-14-17(29-2)8-9-20(16)27/h4-10,12,14,19H,11,13,15H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyZICKULWFQPONSA-IBGZPJMESA-N
XLogP4.15
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methoxyindol-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 110210186
3-indol-1-yl-N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 124862718
N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 124864692
N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide
CID 124862001
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-indol-1-ylacetamide
CID 124627084
4-methylsulfanyl-2-[[2-(5-phenylmethoxyindol-1-yl)acetyl]amino]butanoic acid
CID 75117736
2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 154925497
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 91638736
2-[(2-indol-1-ylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 56920071
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 91645810
2-(5-methoxyindol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 42648833

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide?
The IUPAC name of 2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide (CID 91638880) is 2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide.
What is the SMILES notation for 2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide?
The canonical SMILES for 2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide is COc1ccc2c(ccn2CC(=O)N[C@@H](CCSC)c2nc3ccccc3n2C)c1.
What is the InChIKey of 2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide?
The InChIKey is ZICKULWFQPONSA-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-26-21-7-5-4-6-18(21)25-23(26)19(11-13-30-3)24-22(28)15-27-12-10-16-14-17(29-2)8-9-20(16)27/h4-10,12,14,19H,11,13,15H2,1-3H3,(H,24,28)/t19-/m0/s1.
What are the key properties of 2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide?
2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyindol-1-yl)-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide is sourced from PubChem (CID 91638880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).